G072-2138 Screening compound: 3,4-dimethoxy-N-{5-[({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide

G072-2138 Screening compound: 3,4-dimethoxy-N-{5-[({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
G072-2138 Screening compound: 3,4-dimethoxy-N-{5-[({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G072-2138
3,4-dimethoxy-N-{5-[({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G072-2138

Molecular Formula

C18H15N5O4S3 (C18 H15 N5 O4 S3)

Compound Name

3,4-dimethoxy-N-{5-[({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide

IUPAC name

34-dimethoxy-N-{5-[({5-oxo-5H-[13]thiazolo[32-a]pyrimidin-7-yl}methyl)sulfanyl]-134-thiadiazol-2-yl}benzamide

SMILES

COc(ccc(C(Nc1nnc(SCC(N=C2SC=CN22)=CC2=O)s1)=O)c1)c1OC

InChI

InChI=1S/C18H15N5O4S3/c1-26-12-4-3-10(7-13(12)27-2)15(25)20-16-21-22-18(30-16)29-9-11-8-14(24)23-5-6-28-17(23)19-11/h3-8H,9H2,1-2H3,(H,20,21,25)

InChI Key

RKMGPYCKNDCDCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14980401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.225

Distribution Coefficient, logD

2.219

Water Solubility, LogSw

-2.93

Polar Surface Area

87.180

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G072-2138 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G072-2138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G072-2138?
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What is the minimum amount of G072-2138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G072-2138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G072-2138
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G072-2138 available by request